UCSF

ZINC16545723

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2008 23 No

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.97 9.21 -53.13 0 3 -1 52 298.321 1
Mid Mid (pH 6-8) 4.97 8.34 -10.24 1 3 0 50 299.329 1

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )